N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide

C12H25NO2 — CID 111444753

IUPACN-(2-hydroxy-2-propylpentyl)-2-methylpropanamide
SMILESCCCC(O)(CCC)CNC(=O)C(C)C
InChIInChI=1S/C12H25NO2/c1-5-7-12(15,8-6-2)9-13-11(14)10(3)4/h10,15H,5-9H2,1-4H3,(H,13,14)
InChIKeyITJBCGPQWFVRSA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds7

About N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide

N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide (PubChem CID 111444753) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-2-methylpropanamide
PubChem CID111444753
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-hydroxy-2-propylpentyl)-2-methylpropanamide
SMILESCCCC(O)(CCC)CNC(=O)C(C)C
InChIInChI=1S/C12H25NO2/c1-5-7-12(15,8-6-2)9-13-11(14)10(3)4/h10,15H,5-9H2,1-4H3,(H,13,14)
InChIKeyITJBCGPQWFVRSA-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-methylpentyl)-2-methylpropanamide
CID 89177449
ethane;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 145182364
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-methylpropanamide
CID 65106575
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
3-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 106295623
N-(2-hydroxy-2-methylpentyl)-2-methyl-3-(methylamino)propanamide
CID 106292285
2-(cyclopropylmethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111483187
N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560546

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide (CID 111444753) is N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide is CCCC(O)(CCC)CNC(=O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide?
The InChIKey is ITJBCGPQWFVRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-12(15,8-6-2)9-13-11(14)10(3)4/h10,15H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide?
N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide is sourced from PubChem (CID 111444753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).